Esempio n. 1
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 def testPickle(self):
     """
     Test that a Molecule object can be successfully pickled and
     unpickled with no loss of information.
     """
     molecule0 = Molecule().fromSMILES('C=CC=C[CH2]C')
     molecule0.updateAtomTypes()
     molecule0.updateConnectivityValues()
     import cPickle
     molecule = cPickle.loads(cPickle.dumps(molecule0))
     
     self.assertEqual(len(molecule0.atoms), len(molecule.atoms))
     self.assertEqual(molecule0.getFormula(), molecule.getFormula())
     self.assertTrue(molecule0.isIsomorphic(molecule))
     self.assertTrue(molecule.isIsomorphic(molecule0))
Esempio n. 2
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    def testPickle(self):
        """
        Test that a Molecule object can be successfully pickled and
        unpickled with no loss of information.
        """
        molecule0 = Molecule().fromSMILES('C=CC=C[CH2]C')
        molecule0.updateAtomTypes()
        molecule0.updateConnectivityValues()
        import cPickle
        molecule = cPickle.loads(cPickle.dumps(molecule0))

        self.assertEqual(len(molecule0.atoms), len(molecule.atoms))
        self.assertEqual(molecule0.getFormula(), molecule.getFormula())
        self.assertTrue(molecule0.isIsomorphic(molecule))
        self.assertTrue(molecule.isIsomorphic(molecule0))